(4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C17H18N4O4 — CID 36509633

About (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 36509633) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
• PubChem CID: 36509633
• Molecular Formula: C17H18N4O4
• Molecular Weight: 342.36 g/mol
• Exact Mass: 342.13
• IUPAC Name: (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
• SMILES: CCCc1noc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)n1
• InChI: InChI=1S/C17H18N4O4/c1-2-5-13-18-14(25-20-13)10-21-15(22)17(19-16(21)23)8-9-24-12-7-4-3-6-11(12)17/h3-4,6-7H,2,5,8-10H2,1H3,(H,19,23)/t17-/m1/s1
• InChIKey: WGMWCCNOYCMPAZ-QGZVFWFLSA-N
• XLogP: 1.75
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.36
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

The IUPAC name of (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 36509633) is (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is CCCc1noc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)n1.

What is the InChIKey of (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

The InChIKey is WGMWCCNOYCMPAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-2-5-13-18-14(25-20-13)10-21-15(22)17(19-16(21)23)8-9-24-12-7-4-3-6-11(12)17/h3-4,6-7H,2,5,8-10H2,1H3,(H,19,23)/t17-/m1/s1.

What are the key properties of (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

(4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 342.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 36509633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).